SCHEMBL6686891

SCHEMBL6686891

CCCCC(C)c1ccccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GABRA1 P14867 3/20 0.40
GABRB2 P47870 2/20 0.40
GBA1 P04062 1/20 0.40
SOAT1 P35610 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6686613 0.94 SOAT1 (0.41) TSHRGABRA1GABRB2GBA1SOAT1
SCHEMBL6685019 0.94 TSHR (0.45) TSHRGABRA1GABRB2GBA1SOAT1
SCHEMBL16668982 0.92 SOAT1 (0.44) SOAT1
SCHEMBL9138984 0.92 SOAT1 (0.44) SOAT1
SCHEMBL6681407 0.92 SOAT1 (0.44) SOAT1
SCHEMBL9141584 0.92 SOAT1 (0.44) SOAT1
SCHEMBL9139659 0.92 SOAT1 (0.44) SOAT1
Hydrogen Peroxide SCHEMBL9456671 0.89 SOAT1 (0.45) SOAT1
SCHEMBL6678854 0.87 TSHR (0.43) TSHRSOAT1PPARG
SCHEMBL6684349 0.85 CSNK1E (0.42) TSHRSOAT1PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed